Geometry & MOs

Info

ID:	351566
PubChem CID:	127280458
Reduced:	O3N7C18H25 (1)
Stoich.:	A3B7C18D25 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	2.74
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]benzimidazol-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations